methyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate

C12H16O8 — CID 169079299

IUPACmethyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate
SMILESCCC1OC(=O)OC1CC1OC(=O)OC1CC(=O)OC
InChIInChI=1S/C12H16O8/c1-3-6-7(18-11(14)17-6)4-8-9(5-10(13)16-2)20-12(15)19-8/h6-9H,3-5H2,1-2H3
InChIKeyTUZLSWMNZJIHTM-UHFFFAOYSA-N
MW288.25 g/mol
LogP1.16
Rot. Bonds5

About methyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate

methyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate (PubChem CID 169079299) has the molecular formula C12H16O8 and a molecular weight of 288.25 g/mol. Its IUPAC name is methyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate
PubChem CID169079299
Molecular FormulaC12H16O8
Molecular Weight288.25 g/mol
Exact Mass288.08
IUPAC Namemethyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate
SMILESCCC1OC(=O)OC1CC1OC(=O)OC1CC(=O)OC
InChIInChI=1S/C12H16O8/c1-3-6-7(18-11(14)17-6)4-8-9(5-10(13)16-2)20-12(15)19-8/h6-9H,3-5H2,1-2H3
InChIKeyTUZLSWMNZJIHTM-UHFFFAOYSA-N
XLogP1.16
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate?
The IUPAC name of methyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate (CID 169079299) is methyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for methyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate is CCC1OC(=O)OC1CC1OC(=O)OC1CC(=O)OC.
What is the InChIKey of methyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate?
The InChIKey is TUZLSWMNZJIHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O8/c1-3-6-7(18-11(14)17-6)4-8-9(5-10(13)16-2)20-12(15)19-8/h6-9H,3-5H2,1-2H3.
What are the key properties of methyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate?
methyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate has a molecular weight of 288.25 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate is sourced from PubChem (CID 169079299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).